[(2E)-2-[(3-tert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]methylphosphonic acid

Systemtic Name: [(2E)-2-[(3-tert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]methylphosphonic acid Openeye Name: [(2E)-2-[(3-tert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]methylphosphonic acid CAS Name: [(2E)-2-[(3-tert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]methylphosphonic acid IUPAC Name: [(2E)-2-[(3-tert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]methylphosphonic acid Traditional Name: [(2E)-2-(3-tert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]methylphosphonic acid Formula: C20H22NO5PS MolecularWeight: 419.431141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C=C2C(=O)N(C3=CC=CC=C3S2)CP(=O)(O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CP(=O)(O)O)O

InChI

InChI=1S/C20H22NO5PS/c1-20(2,3)14-10-13(8-9-16(14)22)11-18-19(23)21(12-27(24,25)26)15-6-4-5-7-17(15)28-18/h4-11,22H,12H2,1-3H3,(H2,24,25,26)/b18-11+